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From: "roques" <roques-at-ipno.in2p3.fr>
To: <psik-network-at-dl.ac.uk>
Subject: Post-Doctoral Position Announcement
Date: Thu, 20 Jul 2006 17:01:52 +0200
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Post-Doctoral Position Announcement

 

 

         A post-doctoral position in computational materials science for one
year (extendable to a second year) is available at the Institute of Nuclear
Physics of Orsay (FRANCE, nearby Paris). The starting date is October first,
2006.

 

         The candidates should have deep knowledge in ab initio calculations
based on DFT, as well as a good experience with modelling codes as
Gaussian03 and/or VASP. Accomplished research work in the field of the
adsorbate-surface interactions with cluster and/or periodic approaches is
highly desirable.
 
         This project is funded by the French National Research Agency
(ANR). The candidate will join the theoretical team of the Nuclear Physics
Institute of Orsay and will also have to collaborate with our theoretical
French partner groups.
 

         The successful candidate will have to deal with the theoretical
part of a general environmental study of the migration of toxic elements in
the geosphere (radiotoxic elements are of primary importance in the field of
a deep geological storage of nuclear wastes). 

 

         In this study, the considered surface is the aluminium hydroxide
(Al(OH)3, gibbsite). The adsorbates under interest are water molecules, an
oxocation (UO22+) and two oxoanions (SeO32- and SeO42-).

                        

            The main goals of the theoretical part of this project are: 

 

1)      The modelling of the most stable faces of the Al(OH)3 surface with
cluster as well as periodic approaches.

 

2)      The study of the water interaction with these faces.

 

3)      The investigation of the UO22+, SeO32- and SeO42 adsorptions. 

 

Theoretical results will be correlated with experimental data obtained by
our partner teams (spectroscopic techniques: XPS, DRIFT, SHG, Raman, TRLFS,
and XAS). 

               
Interested candidates are invited to send: 
 
(1)  a full CV,
(2)  a list of publications,
(3) two recommendation letters
 
to  Jerome Roques (roques-at-ipno.in2p3.fr)

 

 


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<p class=3DMsoNormal style=3D'text-align:justify'><b><font size=3D3
face=3D"Times New Roman"><span lang=3DEN-GB =
style=3D'font-size:12.0pt;font-weight:
bold'>Post-Doctoral Position =
Announcement<o:p></o:p></span></font></b></p>

<p class=3DMsoNormal style=3D'text-align:justify'><font size=3D3
face=3D"Times New Roman"><span lang=3DEN-GB =
style=3D'font-size:12.0pt'><o:p>&nbsp;</o:p></span></font></p>

<p class=3DMsoNormal style=3D'text-align:justify'><font size=3D3
face=3D"Times New Roman"><span lang=3DEN-GB =
style=3D'font-size:12.0pt'><o:p>&nbsp;</o:p></span></font></p>

<pre style=3D'text-align:justify'><font size=3D3 face=3D"Times New =
Roman"><span
lang=3DEN-GB style=3D'font-size:12.0pt;font-family:"Times New =
Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; A post-doctoral =
position<font
color=3Dblack><span style=3D'color:black'> in computational materials =
science for one year (extendable to a second year) </span></font>is =
available at the Institute of Nuclear Physics of Orsay (FRANCE, nearby =
<st1:place
w:st=3D"on"><st1:City w:st=3D"on">Paris</st1:City></st1:place>). <font =
color=3Dblack><span
style=3D'color:black'>The starting date is October first, =
2006.<o:p></o:p></span></font></span></font></pre>

<p class=3DMsoNormal style=3D'text-align:justify'><font size=3D3
face=3D"Times New Roman"><span lang=3DEN-GB =
style=3D'font-size:12.0pt'><o:p>&nbsp;</o:p></span></font></p>

<pre style=3D'text-align:justify;line-height:14.4pt'><font size=3D3 =
color=3Dblack
face=3D"Times New Roman"><span lang=3DEN-GB =
style=3D'font-size:12.0pt;font-family:
"Times New =
Roman";color:black'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; The =
candidates should have deep knowledge in <i><span
style=3D'font-style:italic'>ab initio</span></i> calculations based on =
DFT, as well as a good experience with modelling codes as Gaussian03 =
and/or VASP. Accomplished research work in the field of the =
adsorbate-surface interactions with cluster and/or periodic approaches =
is highly desirable.<o:p></o:p></span></font></pre><pre
style=3D'text-align:justify'><font size=3D3 color=3Dblack face=3D"Times =
New Roman"><span
lang=3DEN-GB style=3D'font-size:12.0pt;font-family:"Times New =
Roman";color:black'><o:p>&nbsp;</o:p></span></font></pre><pre
style=3D'text-align:justify'><font size=3D3 color=3Dblack face=3D"Times =
New Roman"><span
lang=3DEN-GB style=3D'font-size:12.0pt;font-family:"Times New =
Roman";color:black'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; =
This project is funded by the French National Research Agency (ANR). The =
candidate will join the theoretical team of the Nuclear Physics =
Institute of Orsay and will also have to collaborate with our =
theoretical French partner groups.<o:p></o:p></span></font></pre><pre
style=3D'text-align:justify'><font size=3D3 color=3Dblack face=3D"Times =
New Roman"><span
lang=3DEN-GB style=3D'font-size:12.0pt;font-family:"Times New =
Roman";color:black'><o:p>&nbsp;</o:p></span></font></pre>

<p class=3DMsoNormal style=3D'text-align:justify'><font size=3D3
face=3D"Times New Roman"><span lang=3DEN-GB =
style=3D'font-size:12.0pt'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbs=
p;
The successful candidate will have to deal with the theoretical part of =
a
general environmental study of the migration of toxic elements in the =
geosphere
(radiotoxic elements are of primary importance in the field of a deep
geological storage of nuclear wastes). <o:p></o:p></span></font></p>

<p class=3DMsoNormal style=3D'text-align:justify'><font size=3D3
face=3D"Times New Roman"><span lang=3DEN-GB =
style=3D'font-size:12.0pt'><o:p>&nbsp;</o:p></span></font></p>

<p class=3DMsoNormal style=3D'text-align:justify'><font size=3D3
face=3D"Times New Roman"><span lang=3DEN-GB =
style=3D'font-size:12.0pt'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbs=
p;
In this study, the considered surface is the aluminium hydroxide =
(Al(OH)<sub>3</sub>,
gibbsite). The adsorbates under interest are water molecules, an =
oxocation (UO<sub>2</sub><sup>2+</sup>)
and two oxoanions (SeO<sub>3</sub><sup>2-</sup> and =
SeO<sub>4</sub><sup>2-</sup>).<o:p></o:p></span></font></p>

<p class=3DMsoNormal style=3D'text-align:justify'><font size=3D3
face=3D"Times New Roman"><span lang=3DEN-GB =
style=3D'font-size:12.0pt'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbs=
p;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp=
;&nbsp;&nbsp;&nbsp;
<o:p></o:p></span></font></p>

<p class=3DMsoNormal style=3D'text-align:justify'><font size=3D3
face=3D"Times New Roman"><span lang=3DEN-GB =
style=3D'font-size:12.0pt'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbs=
p;&nbsp;&nbsp;&nbsp;
The main goals of the theoretical part of this project are: =
<o:p></o:p></span></font></p>

<p class=3DMsoNormal style=3D'text-align:justify'><font size=3D3
face=3D"Times New Roman"><span lang=3DEN-GB =
style=3D'font-size:12.0pt'><o:p>&nbsp;</o:p></span></font></p>

<p class=3DMsoNormal =
style=3D'margin-left:53.4pt;text-align:justify;text-indent:
-18.0pt;mso-list:l0 level1 lfo1'><![if !supportLists]><font size=3D3
face=3D"Times New Roman"><span lang=3DEN-GB =
style=3D'font-size:12.0pt'><span
style=3D'mso-list:Ignore'>1)<font size=3D1 face=3D"Times New =
Roman"><span
style=3D'font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; =
</span></font></span></span></font><![endif]><span
lang=3DEN-GB>The modelling of the most stable faces of the =
Al(OH)<sub>3</sub>
surface with cluster as well as periodic =
approaches.<o:p></o:p></span></p>

<p class=3DMsoNormal =
style=3D'margin-left:35.4pt;text-align:justify'><font size=3D3
face=3D"Times New Roman"><span lang=3DEN-GB =
style=3D'font-size:12.0pt'><o:p>&nbsp;</o:p></span></font></p>

<p class=3DMsoNormal =
style=3D'margin-left:53.4pt;text-align:justify;text-indent:
-18.0pt;mso-list:l0 level1 lfo1'><![if !supportLists]><font size=3D3
face=3D"Times New Roman"><span lang=3DEN-GB =
style=3D'font-size:12.0pt'><span
style=3D'mso-list:Ignore'>2)<font size=3D1 face=3D"Times New =
Roman"><span
style=3D'font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; =
</span></font></span></span></font><![endif]><span
lang=3DEN-GB>The study of the water interaction with these =
faces.<o:p></o:p></span></p>

<p class=3DMsoNormal style=3D'text-align:justify'><font size=3D3
face=3D"Times New Roman"><span lang=3DEN-GB =
style=3D'font-size:12.0pt'><o:p>&nbsp;</o:p></span></font></p>

<p class=3DMsoNormal =
style=3D'margin-left:53.4pt;text-align:justify;text-indent:
-18.0pt;mso-list:l0 level1 lfo1'><![if !supportLists]><font size=3D3
face=3D"Times New Roman"><span lang=3DEN-GB =
style=3D'font-size:12.0pt'><span
style=3D'mso-list:Ignore'>3)<font size=3D1 face=3D"Times New =
Roman"><span
style=3D'font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; =
</span></font></span></span></font><![endif]><span
lang=3DEN-GB>The investigation of the UO<sub>2</sub><sup>2+</sup>, =
SeO<sub>3</sub><sup>2-</sup>
and SeO<sub>4</sub><sup>2</sup> adsorptions. <o:p></o:p></span></p>

<p class=3DMsoNormal style=3D'text-align:justify'><font size=3D3
face=3D"Times New Roman"><span lang=3DEN-GB =
style=3D'font-size:12.0pt'><o:p>&nbsp;</o:p></span></font></p>

<p class=3DMsoNormal =
style=3D'text-align:justify;text-indent:35.4pt'><font size=3D3
face=3D"Times New Roman"><span lang=3DEN-GB =
style=3D'font-size:12.0pt'>Theoretical
results will be correlated with experimental data obtained by our =
partner teams
(spectroscopic techniques: XPS, DRIFT, SHG, Raman, TRLFS, and XAS). =
<o:p></o:p></span></font></p>

<pre style=3D'text-align:justify'><font size=3D3 face=3D"Times New =
Roman"><span
lang=3DEN-GB style=3D'font-size:12.0pt;font-family:"Times New =
Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp=
;&nbsp;&nbsp;&nbsp; <font
color=3Dblack><span =
style=3D'color:black'><o:p></o:p></span></font></span></font></pre><pre
style=3D'text-align:justify'><font size=3D3 color=3Dblack face=3D"Times =
New Roman"><span
lang=3DEN-GB style=3D'font-size:12.0pt;font-family:"Times New =
Roman";color:black'>Interested candidates are invited to send: =
<o:p></o:p></span></font></pre><pre><font
size=3D3 color=3Dblack face=3D"Times New Roman"><span lang=3DEN-GB =
style=3D'font-size:
12.0pt;font-family:"Times New =
Roman";color:black'><o:p>&nbsp;</o:p></span></font></pre><pre><font
size=3D3 color=3Dblack face=3D"Times New Roman"><span lang=3DEN-GB =
style=3D'font-size:
12.0pt;font-family:"Times New Roman";color:black'>(1)&nbsp; a full =
CV,<o:p></o:p></span></font></pre><pre><font
size=3D3 face=3D"Times New Roman"><span lang=3DEN-GB =
style=3D'font-size:12.0pt;
font-family:"Times New Roman"'>(2) &nbsp;</span></font><font
face=3D"Times New Roman"><span lang=3DEN-US style=3D'font-family:"Times =
New Roman"'>a list of publications,</span></font><font
color=3Dblack face=3D"Times New Roman"><span lang=3DEN-GB =
style=3D'font-family:"Times New Roman";
color:black'><o:p></o:p></span></font></pre><pre><font size=3D3 =
color=3Dblack
face=3D"Times New Roman"><span lang=3DEN-GB =
style=3D'font-size:12.0pt;font-family:
"Times New Roman";color:black'>(3) two recommendation =
letters<o:p></o:p></span></font></pre><pre><font
size=3D3 color=3Dblack face=3D"Times New Roman"><span lang=3DEN-GB =
style=3D'font-size:
12.0pt;font-family:"Times New =
Roman";color:black'><o:p>&nbsp;</o:p></span></font></pre><pre><font
size=3D3 color=3Dblack face=3D"Times New Roman"><span lang=3DEN-GB =
style=3D'font-size:
12.0pt;font-family:"Times New Roman";color:black'>to &nbsp;Jerome Roques =
(<st1:PersonName
w:st=3D"on">roques-at-ipno.in2p3.fr</st1:PersonName>)<o:p></o:p></span></fon=
t></pre>

<p class=3DMsoNormal><font size=3D3 face=3D"Times New Roman"><span =
lang=3DEN-GB
style=3D'font-size:12.0pt'><o:p>&nbsp;</o:p></span></font></p>

<p class=3DMsoNormal><font size=3D2 face=3DArial><span lang=3DEN-GB =
style=3D'font-size:
10.0pt;font-family:Arial'><o:p>&nbsp;</o:p></span></font></p>

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